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	hartrees
Energy at 0K	-57.423858
Energy at 298.15K	-57.427800
HF Energy	-56.777962
Nuclear repulsion energy	90.624056

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3238	3074	3.25
2	A	3202	3040	3.55
3	A	3147	2988	11.12
4	A	1497	1421	4.97
5	A	1380	1310	6.65
6	A	1329	1262	23.93
7	A	1267	1203	26.48
8	A	1207	1146	5.83
9	A	1099	1043	2.67
10	A	974	925	31.83
11	A	833	791	21.13
12	A	786	747	112.56
13	A	702	667	25.30
14	A	393	373	6.82
15	A	341	324	0.99
16	A	261	248	1.56
17	A	182	173	4.32
18	A	114	108	3.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.671	-0.849	0.401
C2	-0.419	-0.077	-0.367
Cl3	2.308	-0.303	-0.093
H4	0.559	-0.694	1.485
H5	0.588	-1.919	0.155
Cl6	-1.997	-0.863	-0.013
Cl7	-0.452	1.654	0.083
H8	-0.262	-0.131	-1.454

	C1	C2	Cl3	H4	H5	Cl6	Cl7	H8
C1		1.5405	1.7952	1.1004	1.1009	2.7000	2.7611	2.1967
C2	1.5405		2.7501	2.1832	2.1633	1.7982	1.7883	1.0996
Cl3	1.7952	2.7501		2.3875	2.3728	4.3423	3.3876	2.9130
H4	1.1004	2.1832	2.3875		1.8079	2.9680	2.9153	3.1026
H5	1.1009	2.1633	2.3728	1.8079		2.7978	3.7214	2.5511
Cl6	2.7000	1.7982	4.3423	2.9680	2.7978		2.9548	2.3710
Cl7	2.7611	1.7883	3.3876	2.9153	3.7214	2.9548		2.3627
H8	2.1967	1.0996	2.9130	3.1026	2.5511	2.3710	2.3627

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	107.692	C1	C2	Cl7	111.873
C1	C2	H8	111.524	C2	C1	Cl3	110.835
C2	C1	H4	110.409	C2	C1	H5	108.830
Cl3	C1	H4	108.698	Cl3	C1	H5	107.603
H4	C1	H5	110.427	Cl6	C2	Cl7	110.952
Cl6	C2	H8	107.346	Cl7	C2	H8	107.387

All results from a given calculation for CH₂ClCHCl₂ (1,1,2-trichloroethane)

using model chemistry: MP2/CEP-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH2ClCHCl2 (1,1,2-trichloroethane)

using model chemistry: MP2/CEP-31G*

States and conformations

All results from a given calculation for CH₂ClCHCl₂ (1,1,2-trichloroethane)